5-[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-3-pyridinyl]-2-N-(3-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-2,4-dicarboxamide

C21H24F5N5O3S — CID 145391832

About 5-[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-3-pyridinyl]-2-N-(3-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-2,4-dicarboxamide

5-[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-3-pyridinyl]-2-N-(3-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-2,4-dicarboxamide (PubChem CID 145391832) has the molecular formula C21H24F5N5O3S and a molecular weight of 521.51 g/mol. Its IUPAC name is 5-[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-3-pyridinyl]-2-N-(3-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-2,4-dicarboxamide.

Molecular Properties

• Compound Name: 5-[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-3-pyridinyl]-2-N-(3-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-2,4-dicarboxamide
• PubChem CID: 145391832
• Molecular Formula: C21H24F5N5O3S
• Molecular Weight: 521.51 g/mol
• Exact Mass: 521.15
• IUPAC Name: 5-[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-3-pyridinyl]-2-N-(3-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-2,4-dicarboxamide
• SMILES: CC(NC(=O)c1nc(C(N)=O)c(-c2cnc(NC(C3CC3)C(F)(F)F)cc2C(F)F)s1)C(C)(C)O
• InChI: InChI=1S/C21H24F5N5O3S/c1-8(20(2,3)34)29-18(33)19-31-13(17(27)32)14(35-19)11-7-28-12(6-10(11)16(22)23)30-15(9-4-5-9)21(24,25)26/h6-9,15-16,34H,4-5H2,1-3H3,(H2,27,32)(H,28,30)(H,29,33)
• InChIKey: HFQXCRZJFZIPIT-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 130.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.51
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-3-pyridinyl]-2-N-(3-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-2,4-dicarboxamide?

The IUPAC name of 5-[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-3-pyridinyl]-2-N-(3-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-2,4-dicarboxamide (CID 145391832) is 5-[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-3-pyridinyl]-2-N-(3-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-2,4-dicarboxamide.

What is the SMILES notation for 5-[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-3-pyridinyl]-2-N-(3-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-2,4-dicarboxamide?

The canonical SMILES for 5-[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-3-pyridinyl]-2-N-(3-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-2,4-dicarboxamide is CC(NC(=O)c1nc(C(N)=O)c(-c2cnc(NC(C3CC3)C(F)(F)F)cc2C(F)F)s1)C(C)(C)O.

What is the InChIKey of 5-[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-3-pyridinyl]-2-N-(3-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-2,4-dicarboxamide?

The InChIKey is HFQXCRZJFZIPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F5N5O3S/c1-8(20(2,3)34)29-18(33)19-31-13(17(27)32)14(35-19)11-7-28-12(6-10(11)16(22)23)30-15(9-4-5-9)21(24,25)26/h6-9,15-16,34H,4-5H2,1-3H3,(H2,27,32)(H,28,30)(H,29,33).

What are the key properties of 5-[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-3-pyridinyl]-2-N-(3-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-2,4-dicarboxamide?

5-[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-3-pyridinyl]-2-N-(3-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-2,4-dicarboxamide has a molecular weight of 521.51 g/mol, XLogP of 3.88, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-3-pyridinyl]-2-N-(3-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-2,4-dicarboxamide is sourced from PubChem (CID 145391832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).